- InChI
- InChI=1S/C19H24O3/c1-21-17-5-3-2-4-16(17)18(20)22-12-19-9-13-6-14(10-19)8-15(7-13)11-19/h2-5,13-15H,6-12H2,1H3
- InChI Key
- BRIWTOGEIIJQTB-UHFFFAOYSA-N
- Formula
- C19H24O3
- SMILES
-
COc1ccccc1C(=O)OCC12CC3CC(CC(C
3)C1)C2 - Molecular Weight1
- 300.39
- ω : Acentric Factor.
- Cp,gas : Ideal gas heat capacity (J/mol×K).
- ΔfG° : Standard Gibbs free energy of formation (kJ/mol).
- ΔfH°gas : Enthalpy of formation at standard conditions (kJ/mol).
- ΔfusH° : Enthalpy of fusion at standard conditions (kJ/mol).
- ΔvapH° : Enthalpy of vaporization at standard conditions (kJ/mol).
- IE : Ionization energy (eV).
- log10WS : Log10 of Water solubility in mol/l.
- logPoct/wat : Octanol/Water partition coefficient.
- McVol : McGowan's characteristic volume (ml/mol).
- Pc : Critical Pressure (kPa).
- Inp : Non-polar retention indices.
- Tboil : Normal Boiling Point Temperature (K).
- Tc : Critical Temperature (K).
- Tfus : Normal melting (fusion) point (K).
- Vc : Critical Volume (m3/kmol).
- 1: Molecular weight from the IUPAC atomic weights tables.
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Physical Properties
| Property | Value | Unit | Source |
|---|---|---|---|
| ω | 0.6902 | Relay (1.0) Calculated Property | |
| ΔfG° | 29.91 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -560.24 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 29.67 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 97.96 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 8.43 | eV | Relay (1.0) Calculated Property |
| log10WS | -5.64 | Relay (1.0) Calculated Property | |
| logPoct/wat | 4.068 | Crippen Calculated Property | |
| McVol | 235.540 | ml/mol | McGowan Calculated Property |
| Pc | 1940.65 | kPa | Joback Calculated Property |
| Inp | 2394.00 | NIST | |
| Tboil | 667.24 | K | Relay (1.0) Calculated Property |
| Tc | 932.11 | K | Relay (1.0) Calculated Property |
| Tfus | 436.40 | K | Relay (1.0) Calculated Property |
| Vc | 0.873 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [753.09; 867.90] | J/mol×K | [784.55; 1018.53] | 
|
| Cp,gas | 753.09 | J/mol×K | 784.55 | Joback Calculated Property |
| Cp,gas | 773.42 | J/mol×K | 823.55 | Joback Calculated Property |
| Cp,gas | 792.97 | J/mol×K | 862.54 | Joback Calculated Property |
| Cp,gas | 811.97 | J/mol×K | 901.54 | Joback Calculated Property |
| Cp,gas | 830.64 | J/mol×K | 940.53 | Joback Calculated Property |
| Cp,gas | 849.21 | J/mol×K | 979.53 | Joback Calculated Property |
| Cp,gas | 867.90 | J/mol×K | 1018.53 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to o-Anisic acid, 1-adamantylmethyl ester.
Sources
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